[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c1-14(2)20-16(4)23-17(5)24-21(20)25-9-6-10-26(12-11-25)22(28)18-8-7-15(3)19(13-18)27(29)30/h7-8,13-14H,6,9-12H2,1-5H3